TL;DR: 3-(8,9-diphenyl-2-(pyridin-4-yl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-N,N-dimethylpropan-1-amine (CAS 902314-94-7) is a chemical compound with molecular formula C29H27N7 and molecular weight 473.2328 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(11,12-diphenyl-4-pyridin-4-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl)-N,N-dimethylpropan-1-amine
Also Known As: 3-(8,9-diphenyl-2-(pyridin-4-yl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-N,N-dimethylpropan-1-amine, 3-[8,9-diphenyl-2-(pyridin-4-yl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-N,N-dimethylpropan-1-amine
| Molecular Formula | C29H27N7 |
| Molecular Weight | 473.2328 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 64.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 473.2328 Da |
| Heavy Atoms | 36 |
| Complexity | 685.0 |
| SMILES | CN(C)CCCN1C(=C(C2=C1N=CN3C2=NC(=N3)C4=CC=NC=C4)C5=CC=CC=C5)C6=CC=CC=C6 |
| InChIKey | WQVVFHBNNDWMJT-UHFFFAOYSA-N |
The XLogP value of 4.7 indicates that 3-(8,9-diphenyl-2-(pyridin-4-yl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-N,N-dimethylpropan-1-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(8,9-diphenyl-2-(pyridin-4-yl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-N,N-dimethylpropan-1-amine. Following Lipinski's Rule of Five, 3-(8,9-diphenyl-2-(pyridin-4-yl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-N,N-dimethylpropan-1-amine has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-(8,9-diphenyl-2-(pyridin-4-yl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-N,N-dimethylpropan-1-amine is 902314-94-7.
The molecular formula of 3-(8,9-diphenyl-2-(pyridin-4-yl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-N,N-dimethylpropan-1-amine is C29H27N7.
The molecular weight of 3-(8,9-diphenyl-2-(pyridin-4-yl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-N,N-dimethylpropan-1-amine is 473.2328 g/mol.
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